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| | cis-1,4-Cyclohexanediol Basic information |
| | cis-1,4-Cyclohexanediol Chemical Properties |
| Melting point | 98-100 ºC | | Boiling point | 150 ºC | | density | 1.156±0.06 g/cm3(Predicted) | | Fp | 65 ºC | | storage temp. | 2-8°C | | pka | 14.75±0.40(Predicted) | | Appearance | White to off-white Solid | | InChI | InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2/t5-,6+ | | InChIKey | VKONPUDBRVKQLM-OLQVQODUSA-N | | SMILES | [C@@H]1(O)CC[C@H](O)CC1 | | CAS DataBase Reference | 931-71-5 | | EPA Substance Registry System | 1,4-Cyclohexanediol, cis- (931-71-5) |
| TSCA | TSCA listed | | HS Code | 2906.19.5000 |
| | cis-1,4-Cyclohexanediol Usage And Synthesis |
| Uses | cis-1,4-Cyclohexanediol is a metabolite of the side-chain of candesartan cilexetil (C175580), on digoxin-induced arrhythmias in dogs with congestive heart failure. | | Purification Methods | Crystallise the cis-diol from acetone (charcoal), then dry and sublime it under vacuum. It also crystallises from Me2CO or Me2CO/*C6H6. The diacetate has m 40.6-41.1o (from pet ether or 34-36o from EtOH). [Grob & Baumann Helv Chim Acta 38 604 1955, Owen & Robins J Chem Soc 320 1949, Beilstein 6 III 4080, 6 IV 5209.] | | Structure and conformation | Chair conformation:
this form of cis-1, 4-cyclohexane diol is most stable,
there will be a strong intramolecular hydrogen bonding. In cyclohexane boat form 1, 4 interaction is know as Flagpole interaction which makes it unstable. But in this case, OH groups are present instead of hydrogen and there will be a strong hydrogen bonding and no flagpole interaction. Hence, diaxial boat form is more stable. |
| | cis-1,4-Cyclohexanediol Preparation Products And Raw materials |
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